⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19435579 | 0.85 | — | — | |
| Acetone SCHEMBL4541424 | 0.84 | — | — | |
| SCHEMBL28633895 | 0.83 | — | — | |
| Acetic Acid SCHEMBL9630666 | 0.82 | FFAR3 (0.35) | — | |
| Acetamide SCHEMBL28350256 | 0.80 | — | — | |
| SCHEMBL27968339 | 0.79 | — | — | |
| Acetic Acid SCHEMBL28691473 | 0.78 | CA1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL28821874 | 0.78 | — | — | |
| Acetic Acid SCHEMBL28017659 | 0.78 | CA1 (0.36) | — | |
| Acetic Acid SCHEMBL3807264 | 0.78 | CA1 (0.41) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101899013-A | 2-(2-substituted aryl-2H-1,2,4-triazole-3-sulfydryl) acetamide derivative and preparation method and application thereof | UNIV SHANDONG | 2010-12-01 | — | — | CN | claimed |
| CN-101899013-B | 2-(2-substituted aryl-2H-1,2,4-triazole-3-sulfydryl) acetamide derivative and preparation method and application thereof | UNIV SHANDONG | 2012-07-25 | — | — | CN | disclosed |
| CN-101899013-A | 2-(2-substituted aryl-2H-1,2,4-triazole-3-sulfydryl) acetamide derivative and preparation method and application thereof | UNIV SHANDONG | 2010-12-01 | — | — | CN | disclosed |